(4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C28H26ClN3O2S — CID 100602264

IUPAC(4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C28H26ClN3O2S/c1-17(2)33-20-12-10-19(11-13-20)32-27(26(31-28(32)35)23-9-4-5-16-30-23)25-15-14-24(34-25)21-7-6-8-22(29)18(21)3/h4-17,26-27H,1-3H3,(H,31,35)/t26-,27-/m1/s1
InChIKeyMZXJBZWKXVIYEX-KAYWLYCHSA-N
MW504.06 g/mol
LogP7.27
Rot. Bonds6

About (4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione

(4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 100602264) has the molecular formula C28H26ClN3O2S and a molecular weight of 504.06 g/mol. Its IUPAC name is (4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name(4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID100602264
Molecular FormulaC28H26ClN3O2S
Molecular Weight504.06 g/mol
Exact Mass503.14
IUPAC Name(4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C28H26ClN3O2S/c1-17(2)33-20-12-10-19(11-13-20)32-27(26(31-28(32)35)23-9-4-5-16-30-23)25-15-14-24(34-25)21-7-6-8-22(29)18(21)3/h4-17,26-27H,1-3H3,(H,31,35)/t26-,27-/m1/s1
InChIKeyMZXJBZWKXVIYEX-KAYWLYCHSA-N
XLogP7.27
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.06
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5S)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100602133
(4S,5S)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100602172
(4R,5R)-1-(3-chloro-4-methoxyphenyl)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100515166
(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100509218
2-[5-[(4S,5R)-3-(4-propan-2-yloxyphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 100602006
1-(1,3-benzodioxol-5-yl)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133157089
(4S,5R)-5-[5-(4-ethoxyphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100601961
(4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100521165
5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158267
(4S,5S)-5-(5-phenylsulfanylfuran-2-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100601696
1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224564
(4S,5S)-1-(3-chloro-4-methoxyphenyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100515058

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of (4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 100602264) is (4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for (4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for (4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1.
What is the InChIKey of (4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is MZXJBZWKXVIYEX-KAYWLYCHSA-N. The full InChI is InChI=1S/C28H26ClN3O2S/c1-17(2)33-20-12-10-19(11-13-20)32-27(26(31-28(32)35)23-9-4-5-16-30-23)25-15-14-24(34-25)21-7-6-8-22(29)18(21)3/h4-17,26-27H,1-3H3,(H,31,35)/t26-,27-/m1/s1.
What are the key properties of (4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
(4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 504.06 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 100602264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).